Published September 21, 2022 | Version 1.0
Dataset Open

Disconnection Labelled Reaction Data

Description

Dataset containing reaction centers used to train the disconnection aware model

Files

complete_disconnection_labelled.csv

Files (1.0 GB)

Name Size Download all
md5:1d76ba488b121a5805ff6172a8d067ef
729.8 MB Preview Download
md5:6e960c75b55b7085c934e7d245d90257
9.4 MB Download
md5:4f4249961b2d476690bfcef5596f3a08
6.2 MB Download
md5:20c75a3834bdc9b4d8f686ecd7e1fdbb
168.9 MB Download
md5:8883821a993aae67cecef9cc91303f20
111.6 MB Download
md5:22a50e5eee6c41b2c4dbb57fc54c4757
9.4 MB Download
md5:585fa8c1ec32bf2ec4bdcea991a0081c
6.2 MB Download

Additional details

Related works

Is described by
Preprint: 10.26434/chemrxiv-2022-gx9gb (DOI)